disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-10-methyl-acridin-10-ium-2-yl] phosphate

Systemtic Name: disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-10-methyl-acridin-10-ium-2-yl] phosphate Openeye Name: disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-10-methyl-acridin-10-ium-2-yl] phosphate CAS Name: disodium [9-[(4-carboxy-2,6-dimethylphenoxy)-oxomethyl]-10-methyl-2-acridin-10-iumyl] phosphate IUPAC Name: disodium [9-(4-carboxy-2,6-dimethylphenoxy)carbonyl-10-methylacridin-10-ium-2-yl] phosphate Traditional Name: disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-10-methyl-acridin-10-ium-2-yl] phosphate Formula: C24H19NNa2O8P+ MolecularWeight: 526.362861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)OP(=O)([O-])[O-])C)C(=O)O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)OP(=O)([O-])[O-])C)C(=O)O.[Na+].[Na+]

InChI

InChI=1S/C24H20NO8P.2Na/c1-13-10-15(23(26)27)11-14(2)22(13)32-24(28)21-17-6-4-5-7-19(17)25(3)20-9-8-16(12-18(20)21)33-34(29,30)31;;/h4-12H,1-3H3,(H2-,26,27,29,30,31);;/q;2*+1/p-1